Vitas-M small molecule compound

(E)-(3-chloro-4-methoxyphenyl){1-[3-(diethylammonio)propyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK566427
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc(c(c2)Cl)OC)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)CC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C27H33ClN2O5 MW 501.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33ClN2O5/c1-5-29(6-2)15-8-16-30-24(18-9-12-20(13-10-18)35-7-3)23(26(32)27(30)33)25(31)19-11-14-22(34-4)21(28)17-19/h9-14,17,24,31H,5-8,15-16H2,1-4H3/b25-23+
InChIKey
ZJNYFANZENZKOW-WJTDDFOZSA-N
Synonyms
636987-54-7
(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIETHYLAMINO)PROPYL)5(4ETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(1(3(diethylammonio)propyl)2(4ethoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3CHLORO4METHOXYPHENYL)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)4((3CHLORO4METHOXYPHENYL)CARBONYL)5(4ETHOXYPHENYL)3HYDROXY3PYRROLIN2ONE
636987547
CC(NH+)(CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OC)Cl)(O))C(=O)C1=O)C3=CC=C(C=C3)OCC
CCOc1ccc(cc1)C1C(=C(c2ccc(c(c2)Cl)OC)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC27H33ClN2O5c1529(62)158163024(1891220(131018)3573)23(26(32)27(30)33)25(31)19111422(344)21(28)1719h914172431H581516H214H3b2523+
MFCD18245020
ZINC000009007799
ZINC000009007800

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Available files

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